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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for C5H10 (Cyclopentane)
1A C1
1910171554
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2 INChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N
HF/CEP-31G*
Point group is C1
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.9463 |
-0.8336 |
0.2620 |
|
-0.8963 |
-0.8877 |
0.2602 |
| C2 |
-0.2396 |
1.2721 |
0.1275 |
|
0.1654 |
1.2836 |
0.1306 |
| C3 |
-1.3027 |
0.1349 |
0.0143 |
|
1.2927 |
0.2102 |
0.0144 |
| C4 |
-0.4976 |
-1.1883 |
-0.1560 |
|
0.5656 |
-1.1571 |
-0.1590 |
| C5 |
1.1075 |
0.6115 |
-0.2480 |
|
-1.1412 |
0.5468 |
-0.2463 |
| H6 |
-0.1909 |
1.6372 |
1.1552 |
|
0.0960 |
1.6427 |
1.1591 |
| H7 |
-0.4759 |
2.1281 |
-0.5052 |
|
0.3514 |
2.1533 |
-0.5001 |
| H8 |
-1.9722 |
0.2963 |
-0.8311 |
|
1.9514 |
0.4122 |
-0.8307 |
| H9 |
-1.9268 |
0.1014 |
0.9080 |
|
1.9180 |
0.2109 |
0.9079 |
| H10 |
-0.5036 |
-1.4975 |
-1.2033 |
|
0.5892 |
-1.4628 |
-1.2071 |
| H11 |
-0.9168 |
-2.0104 |
0.4248 |
|
1.0320 |
-1.9548 |
0.4197 |
| H12 |
1.6870 |
-1.5214 |
-0.1480 |
|
-1.5960 |
-1.6164 |
-0.1514 |
| H13 |
1.0413 |
-0.8539 |
1.3509 |
|
-0.9895 |
-0.9162 |
1.3490 |
| H14 |
1.2365 |
0.6045 |
-1.3334 |
|
-1.2700 |
0.5350 |
-1.3317 |
| H15 |
1.9654 |
1.1292 |
0.1829 |
|
-2.0276 |
1.0128 |
0.1860 |
Atom - Atom Distances (Å)
| |
C1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
| C1 |
| 2.4204 |
2.4612 |
1.5445 |
1.5409 |
2.8628 |
3.3738 |
3.3150 |
3.0898 |
2.1657 |
2.2097 |
1.0908 |
1.0932 |
2.1674 |
2.2130 |
| C2 |
2.4204 |
|
1.5609 |
2.4901 |
1.5466 |
1.0917 |
1.0903 |
2.2075 |
2.1970 |
3.0841 |
3.3648 |
3.4046 |
2.7672 |
2.1815 |
2.2103 |
| C3 |
2.4612 |
1.5609 |
|
1.5583 |
2.4708 |
2.1896 |
2.2195 |
1.0904 |
1.0906 |
2.1877 |
2.2180 |
3.4217 |
2.8737 |
2.9129 |
3.4202 |
| C4 |
1.5445 |
2.4901 |
1.5583 |
| 2.4133 |
3.1300 |
3.3348 |
2.1987 |
2.1997 |
1.0920 |
1.0904 |
2.2098 |
2.1796 |
2.7582 |
3.3988 |
| C5 |
1.5409 |
1.5466 |
2.4708 |
2.4133 |
| 2.1695 |
2.2075 |
3.1502 |
3.2869 |
2.8206 |
3.3801 |
2.2125 |
2.1699 |
1.0930 |
1.0908 |
| H6 |
2.8628 |
1.0917 |
2.1896 |
3.1300 |
2.1695 |
| 1.7547 |
2.9860 |
2.3309 |
3.9353 |
3.7902 |
3.8989 |
2.7861 |
3.0491 |
2.4193 |
| H7 |
3.3738 |
1.0903 |
2.2195 |
3.3348 |
2.2075 |
1.7547 |
| 2.3876 |
2.8653 |
3.6922 |
4.2645 |
4.2573 |
3.8261 |
2.4371 |
2.7260 |
| H8 |
3.3150 |
2.2075 |
1.0904 |
2.1987 |
3.1502 |
2.9860 |
2.3876 |
| 1.7506 |
2.3480 |
2.8305 |
4.1425 |
3.8942 |
3.2624 |
4.1505 |
| H9 |
3.0898 |
2.1970 |
1.0906 |
2.1997 |
3.2869 |
2.3309 |
2.8653 |
1.7506 |
| 3.0067 |
2.3903 |
4.0999 |
3.1494 |
3.9095 |
4.0905 |
| H10 |
2.1657 |
3.0841 |
2.1877 |
1.0920 |
2.8206 |
3.9353 |
3.6922 |
2.3480 |
3.0067 |
| 1.7563 |
2.4317 |
3.0537 |
2.7319 |
3.8623 |
| H11 |
2.2097 |
3.3648 |
2.2180 |
1.0904 |
3.3801 |
3.7902 |
4.2645 |
2.8305 |
2.3903 |
1.7563 |
| 2.7106 |
2.4554 |
3.8165 |
4.2688 |
| H12 |
1.0908 |
3.4046 |
3.4217 |
2.2098 |
2.2125 |
3.8989 |
4.2573 |
4.1425 |
4.0999 |
2.4317 |
2.7106 |
| 1.7633 |
2.4754 |
2.6857 |
| H13 |
1.0932 |
2.7672 |
2.8737 |
2.1796 |
2.1699 |
2.7861 |
3.8261 |
3.8942 |
3.1494 |
3.0537 |
2.4554 |
1.7633 |
| 3.0611 |
2.4802 |
| H14 |
2.1674 |
2.1815 |
2.9129 |
2.7582 |
1.0930 |
3.0491 |
2.4371 |
3.2624 |
3.9095 |
2.7319 |
3.8165 |
2.4754 |
3.0611 |
| 1.7623 |
| H15 |
2.2130 |
2.2103 |
3.4202 |
3.3988 |
1.0908 |
2.4193 |
2.7260 |
4.1505 |
4.0905 |
3.8623 |
4.2688 |
2.6857 |
2.4802 |
1.7623 |
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Maximum atom distance is 4.2688Å
between atoms H11 and H15.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C1 |
C4 |
C3 |
104.976 |
|
C1 |
C5 |
C2 |
103.244 |
|
C2 |
C3 |
C4 |
105.942 |
|
C3 |
C2 |
C5 |
105.333 |
|
C4 |
C1 |
C5 |
102.919 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C1 |
C4 |
H10 |
109.256 |
|
C1 |
C4 |
H11 |
112.858 |
|
C1 |
C5 |
H14 |
109.575 |
|
C1 |
C5 |
H15 |
113.367 |
|
C2 |
C3 |
H8 |
111.505 |
|
C2 |
C3 |
H9 |
110.655 |
|
C2 |
C5 |
H14 |
110.285 |
|
C2 |
C5 |
H15 |
112.730 |
|
C3 |
C2 |
H6 |
110.013 |
|
C3 |
C2 |
H7 |
112.475 |
|
C3 |
C4 |
H10 |
110.023 |
|
C3 |
C4 |
H11 |
112.539 |
|
C4 |
C1 |
H12 |
112.844 |
|
C4 |
C1 |
H13 |
110.275 |
|
C4 |
C3 |
H8 |
110.987 |
|
C4 |
C3 |
H9 |
111.054 |
|
C5 |
C1 |
H12 |
113.323 |
|
C5 |
C1 |
H13 |
109.762 |
|
C5 |
C2 |
H6 |
109.428 |
|
C5 |
C2 |
H7 |
112.532 |
|
H6 |
C2 |
H7 |
107.060 |
|
H8 |
C3 |
H9 |
106.768 |
|
H10 |
C4 |
H11 |
107.175 |
|
H12 |
C1 |
H13 |
107.679 |
|
H14 |
C5 |
H15 |
107.605 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.